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8-Demethyleucalyptin

CAT: 0013-GTR19229030-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229030-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8-Demethyleucalyptin is a small molecule compound utilized in life science research. It serves as a valuable tool in both in vitro and in vivo studies, particularly within the fields of pharmacology and natural product chemistry for investigating biological activities.
CAS Number
5689-38-3
Smiles
O=C1C=C (OC=2C=C (OC) C (=C (O) C12) C) C=3C=CC (OC) =CC3
Molecular Formula
C18H16O5
Molecular Weight
312.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Demethyleucalyptin

5-Hydroxy-4',7-dimethoxy-6-methylflavone is an ether and a member of flavonoids.

CAS Number5689-38-3
PubChem CID15715157
IUPAC Name5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP2.8
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity466
SMILES
CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3
InChIKey
QPWOSZAYIILLKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Demethyleucalyptin
CAS: 5689-38-3
CID: 15715157
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass312.09977361
Monoisotopic Mass312.09977361
Topological Polar Surface Area65 Ų
Heavy Atom Count23
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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